N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide

C20H17FN2O2 — CID 53020814

IUPACN-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=CC=C(C=C3)F
InChIInChI=1S/C20H17FN2O2/c1-25-19-8-4-15(5-9-19)16-10-17(13-22-12-16)20(24)23-11-14-2-6-18(21)7-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
InChIKeyFGTLZWQGZICHLA-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.30
Rot. Bonds5

About N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide

N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide (PubChem CID 53020814) has the molecular formula C20H17FN2O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide
PubChem CID53020814
Molecular FormulaC20H17FN2O2
Molecular Weight336.40 g/mol
Exact Mass336.13
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=CC=C(C=C3)F
InChIInChI=1S/C20H17FN2O2/c1-25-19-8-4-15(5-9-19)16-10-17(13-22-12-16)20(24)23-11-14-2-6-18(21)7-3-14/h2-10,12-13H,11H2,1H3,(H,23,24)
InChIKeyFGTLZWQGZICHLA-UHFFFAOYSA-N
XLogP3.30
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity418

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-Difluorophenoxy)-5-fluoro-N-(cis-4-((2-hydroxy-5-methylbenzoyl)amino)cyclohexyl)nicotinamide
CID 9876393
Ondelopran
CID 10457387
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
CP-457677
CID 10407399
Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
Pyrrolopyridine, 29
CID 16720207
Wwl70
CID 17759121
4-fluoro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396291
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide?
The IUPAC name of N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide (CID 53020814) is N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide?
The canonical SMILES for N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide is COC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)NCC3=CC=C(C=C3)F.
What is the InChIKey of N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide?
The InChIKey is FGTLZWQGZICHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-25-19-8-4-15(5-9-19)16-10-17(13-22-12-16)20(24)23-11-14-2-6-18(21)7-3-14/h2-10,12-13H,11H2,1H3,(H,23,24).
What are the key properties of N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide?
N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide has a molecular weight of 336.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobenzyl)-5-(4-methoxyphenyl)nicotinamide is sourced from PubChem (CID 53020814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).